An AI-assisted workflow for computational chemistry planning, model design, input generation, result analysis, and reproducible manuscript preparation.
☆34Jul 27, 2026Updated 3 months ago
Alternatives and similar repositories for Computational-chemistry-skill
Users that are interested in Computational-chemistry-skill are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 苏州大学材化部化学类课程复习资料☆15Jan 24, 2026Updated 9 months ago
- 苏州大学材料与化学化工学部完全指南☆29Jul 9, 2026Updated 3 months ago
- Semiconductor Manufacturing introduction项目加入简体中文☆31Oct 16, 2026Updated last week
- 使用 python 调用 ORCA 进行理 论化学的计算,并封装了常用计算方法。DFT/量子化学/理论计算/理论化学/第一性原理☆14Nov 14, 2024Updated last year
- An easy-to-use and interactive web application for FragPipe☆15Mar 8, 2026Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Align atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selec…☆12Oct 20, 2024Updated 2 years ago
- ☆15Nov 7, 2022Updated 3 years ago
- ☆12Aug 30, 2023Updated 3 years ago
- Codes and data for active learning for next-generation battery electrolyte optimization☆16Dec 12, 2025Updated 10 months ago
- The computational modeling tool for custom atomistic model of calcium-silicate-hydrates (C-S-H)☆23May 14, 2023Updated 3 years ago
- ☆16May 1, 2025Updated last year
- A package of tools for automating the file preparation for the LAMMPS fix bond/react.☆24Sep 27, 2022Updated 4 years ago
- Solv@TUM - The Solvation Free Energy Database☆15Mar 31, 2024Updated 2 years ago
- USTC timetable to calendar ics file 中国科学技术大学教务课程表转换日历ics文件☆18Jan 21, 2020Updated 6 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- cryptic pockets database☆14Jul 3, 2026Updated 3 months ago
- A Python package for learning representations of battery discharge voltage profiles across diverse compositions in disordered rocksalt ca…☆16Jul 12, 2024Updated 2 years ago
- ☆17Feb 20, 2025Updated last year
- Patch-based Convlutional Encoder for vibrational spectrum recognition☆15Sep 27, 2024Updated 2 years ago
- Nonebot2的Pokemon Infinite Fusion中文版融合计算器插件☆10Oct 24, 2023Updated 3 years ago
- ☆21Jun 1, 2026Updated 4 months ago
- ☆18Jun 4, 2026Updated 4 months ago
- 支持多个onebot平台的 QQ 机器人 ,初始支持Napcat、llbot、通用onebot11等平台协议,支持哔哩哔哩动态订阅、直播通知与链接解析等功能。☆21Oct 10, 2026Updated 2 weeks ago
- Animated pokemon gif files (can be used for PokeAlarm)☆11Feb 12, 2019Updated 7 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆33Jan 6, 2026Updated 9 months ago
- Workflow for generate a database of proteins with quantum properties☆19Feb 25, 2026Updated 8 months ago
- ☆16Jul 13, 2025Updated last year
- ☆20Aug 29, 2026Updated 2 months ago
- A package for quantum-classical modeling.☆16Updated this week
- ☆30Jun 9, 2026Updated 4 months ago
- 苏州大学软件工程专业(本科)相关课程资料☆37Jan 1, 2026Updated 9 months ago
- ☆16Sep 2, 2026Updated last month
- TCP, ICMP check for China Vpn . 用于部署在国内节点,监测国外节点是否tcp阻断,或者被屏蔽ip☆19Aug 30, 2018Updated 8 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Game-Engine Assisted Research framework for Scientific computing (GEARS) in Virtual Reality☆17Aug 16, 2022Updated 4 years ago
- Code base, outputs, scoring guidelines and annotations for ChatGPT NCCN evaluation | Paper: https://jamanetwork.com/journals/jamaoncology…☆18Aug 27, 2023Updated 3 years ago
- Agent skills to run computational-chemistry tasks, used in OpenClaw☆155Updated this week
- ☆38Sep 10, 2026Updated last month
- A website to rank pokemon fusion sprite based on users based on pokemon infinite fusion game.☆12Oct 1, 2026Updated 3 weeks ago
- Intel Neural Compute Stick 2 Running on RPI 3 with Threading☆40Feb 27, 2019Updated 7 years ago
- These labs introduce core quantum computing concepts through code-based exercises using Qiskit. Students build and simulate quantum circu…☆20Sep 4, 2026Updated last month